Chemical Properties of Butanoic acid, 4-(2,4-dichlorophenoxy)- (CAS 94-82-6)

InChI

InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)

InChI Key

YIVXMZJTEQBPQO-UHFFFAOYSA-N

Formula

C10H10Cl2O3

SMILES

O=C(O)CCCOc1ccc(Cl)cc1Cl

Molecular Weight¹

249.09

CAS

94-82-6

Other Names

• (2,4-Dichlorophenoxy)butyric acid
• .gamma.-(2,4-dichlorophenoxy)butyric acid
• 2,4-D butyric acid
• 2,4-DB
• 2,4-DM
• 4-(2,4-DB)
• 4-(2,4-dichlorophenoxy)butanoic acid
• 4-(2,4-dichlorophenoxy)butyric acid
• Buratal
• Butirex
• Butormone
• Butoxon
• Butoxone
• Butoxone ester
• Butyrac
• Butyrac 118
• Butyrac 200
• Butyrac ester
• Campbell's db straight
• Kyselina 4-(2,4-dichlorfenoxy)maselna
• Legumex
• Legumex D
• NSC 70337
• Sys 67 Buratal
• Venceweed
• butyric acid, 4-(2,4-dichlorophenoxy)-
• «gamma»-(2,4-Dichlorophenoxy)butyric acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.64	kJ/mol	Joback Calculated Property
ΔsubH°	[124.00; 149.00]	kJ/mol
ΔsubH°	124.00 ± 6.00	kJ/mol	NIST
ΔsubH°	149.00 ± 2.00	kJ/mol	NIST
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-3.67		Aq. Solubility Prediction
logPoct/wat	3.237		Crippen Calculated Property
McVol	165.790	ml/mol	McGowan Calculated Property
Inp	[1869.00; 1869.00]
Inp	1869.00		NIST
Inp	1869.00		NIST
Tboil	593.15	K	Relay (1.0) Calculated Property
Tfus	[390.90; 393.20]	K
Tfus	393.20	K	Standard Sublimation Enthalpies of some dichlorophenoxy acids and their methyl esters
Tfus	391.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	391.49 ± 0.20	K	NIST
Tfus	390.90 ± 0.20	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[35.00; 38.42]	kJ/mol	[391.40; 395.50]
ΔfusH	38.42	kJ/mol	391.40	NIST
ΔfusH	35.00	kJ/mol	395.50	NIST
ΔsubH	146.00 ± 1.00	kJ/mol	373.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[221.30; 456.45]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.43730e+01
Coefficient B			7.57100e-01
Coefficient C			-4.19720e-04
Coefficient D			7.47000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	221.30	J/mol×K	273.00	Calculated Property
Cp,gas	262.99	J/mol×K	353.78	Calculated Property
Cp,gas	300.25	J/mol×K	434.56	Calculated Property
Cp,gas	333.29	J/mol×K	515.33	Calculated Property
Cp,gas	362.37	J/mol×K	596.11	Calculated Property
Cp,gas	387.71	J/mol×K	676.89	Calculated Property
Cp,gas	409.55	J/mol×K	757.67	Calculated Property
Cp,gas	428.13	J/mol×K	838.44	Calculated Property
Cp,gas	443.69	J/mol×K	919.22	Calculated Property
Cp,gas	456.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023033; 0.0001948]	Pa×s	[391.69; 653.21]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.22432e+01
Coefficient B			2.41661e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			391.69
Temperature range, max.			653.21
η	0.0023033	Pa×s	391.69	Calculated Property
η	0.0015042	Pa×s	420.74	Calculated Property
η	0.0010379	Pa×s	449.80	Calculated Property
η	0.0007491	Pa×s	478.86	Calculated Property
η	0.0005613	Pa×s	507.92	Calculated Property
η	0.0004339	Pa×s	536.98	Calculated Property
η	0.0003444	Pa×s	566.04	Calculated Property
η	0.0002796	Pa×s	595.09	Calculated Property
η	0.0002314	Pa×s	624.15	Calculated Property
η	0.0001948	Pa×s	653.21	Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 4-(2,4-dichlorophenoxy)-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Standard Sublimation Enthalpies of some dichlorophenoxy acids and their methyl esters
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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